Base information
| Cat. No. | |
| CAS No. | 89409-89-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.28 |
| Exact Mass | 251.095 |
| XLogP3 | 3.40198 |
| Mr | 72.6795 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1ccc(cc1)c1ccc(cc1)C#N |
